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{
"id": "mp-1213002",
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"structure_string": "Eu4 Ho8 O16\n1.0\n3.401324 0.000000 0.000000\n0.000000 10.019449 0.000000\n0.000000 0.000000 11.913304\nEu Ho O\n4 8 16\ndirect\n0.250000 0.748990 0.148926 Eu\n0.750000 0.251010 0.851074 Eu\n0.750000 0.751010 0.648926 Eu\n0.250000 0.248990 0.351074 Eu\n0.250000 0.575913 0.888935 Ho\n0.750000 0.424087 0.111065 Ho\n0.750000 0.924087 0.388935 Ho\n0.250000 0.075913 0.611065 Ho\n0.250000 0.078678 0.111934 Ho\n0.750000 0.921322 0.888066 Ho\n0.750000 0.421322 0.611934 Ho\n0.250000 0.578678 0.388066 Ho\n0.250000 0.787705 0.824057 O\n0.750000 0.212295 0.175943 O\n0.750000 0.712295 0.324057 O\n0.250000 0.287705 0.675943 O\n0.250000 0.985863 0.283323 O\n0.750000 0.014137 0.716677 O\n0.750000 0.514137 0.783323 O\n0.250000 0.485863 0.216677 O\n0.250000 0.575881 0.578058 O\n0.750000 0.424119 0.421942 O\n0.750000 0.924119 0.078058 O\n0.250000 0.075881 0.921942 O\n0.250000 0.872789 0.519905 O\n0.750000 0.127211 0.480095 O\n0.750000 0.627211 0.019905 O\n0.250000 0.372789 0.980095 O\n",
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{
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"updated_at": "2021-11-28T01:36:51Z",
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{
"id": "mp-1177169",
"created_at": "2022-09-04T14:45:07.322499Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n9.817138 0.000000 0.000000\n4.890889 8.540701 0.000000\n0.053026 0.049439 14.024127\nLi V P O\n10 6 16 58\ndirect\n0.221982 0.086272 0.938762 Li\n0.097818 0.226330 0.442689 Li\n0.678334 0.094049 0.440858 Li\n0.336322 0.333246 0.114354 Li\n0.692444 0.224788 0.940185 Li\n0.088588 0.684405 0.940118 Li\n0.776718 0.318131 0.559316 Li\n0.231483 0.681556 0.438958 Li\n0.908809 0.774801 0.561183 Li\n0.771498 0.906582 0.060173 Li\n0.564545 0.437318 0.750513 V\n0.434052 0.569162 0.246336 V\n0.994984 0.431372 0.246282 V\n0.998538 0.566318 0.750694 V\n0.429630 0.998779 0.748104 V\n0.565790 0.000923 0.254488 V\n0.231218 0.089849 0.156622 P\n0.087657 0.232927 0.659144 P\n0.678734 0.090590 0.659188 P\n0.332532 0.333580 0.872598 P\n0.330822 0.336796 0.371965 P\n0.679147 0.229602 0.157989 P\n0.766435 0.319737 0.340432 P\n0.089094 0.680771 0.157966 P\n0.912231 0.317143 0.841517 P\n0.231107 0.682157 0.656081 P\n0.314789 0.769402 0.840540 P\n0.666676 0.666798 0.628685 P\n0.667051 0.669942 0.126830 P\n0.312748 0.915422 0.340976 P\n0.914282 0.765258 0.341574 P\n0.765568 0.913673 0.841160 P\n0.230428 0.010813 0.425309 O\n0.252849 0.087360 0.666857 O\n0.002875 0.227731 0.925824 O\n0.082903 0.257794 0.168627 O\n0.373757 0.114329 0.174875 O\n0.329965 0.185267 0.836446 O\n0.519650 0.103114 0.675641 O\n0.754721 0.001271 0.931054 O\n0.662953 0.079171 0.164091 O\n0.182649 0.333814 0.329169 O\n0.099761 0.381245 0.677972 O\n0.486154 0.187695 0.334705 O\n0.339003 0.335560 0.979943 O\n0.327044 0.337716 0.478142 O\n0.486033 0.331699 0.831228 O\n0.104626 0.515278 0.174734 O\n0.186584 0.486021 0.834806 O\n0.663116 0.256273 0.661297 O\n0.787319 0.211542 0.249119 O\n0.763173 0.237793 0.430428 O\n0.752576 0.237220 0.067430 O\n0.512221 0.372366 0.175172 O\n0.330014 0.486902 0.329749 O\n0.742842 0.338406 0.838104 O\n0.382178 0.521670 0.679724 O\n0.083776 0.662839 0.661584 O\n0.990250 0.214892 0.745409 O\n0.003487 0.243256 0.568015 O\n0.003391 0.751861 0.431051 O\n0.916509 0.336945 0.338122 O\n0.618677 0.477928 0.326033 O\n0.253662 0.658269 0.158548 O\n0.669955 0.511311 0.671856 O\n0.477467 0.617861 0.821112 O\n0.235186 0.752603 0.925675 O\n0.245159 0.747832 0.563985 O\n0.213406 0.792510 0.744733 O\n0.335654 0.749409 0.340176 O\n0.817937 0.521223 0.174888 O\n0.900974 0.477208 0.825651 O\n0.523759 0.661716 0.172071 O\n0.677372 0.658925 0.021720 O\n0.675591 0.652806 0.522927 O\n0.520071 0.807433 0.672532 O\n0.906219 0.615686 0.320900 O\n0.815847 0.669931 0.668414 O\n0.337137 0.913469 0.841520 O\n0.214321 0.994469 0.244145 O\n0.233747 0.015576 0.065225 O\n0.474325 0.908006 0.322022 O\n0.669178 0.816644 0.166173 O\n0.615440 0.905800 0.822430 O\n0.913135 0.748481 0.840607 O\n0.995217 0.755799 0.069752 O\n0.000431 0.787797 0.249642 O\n0.749732 0.913423 0.342645 O\n0.761328 0.004116 0.569810 O\n0.789466 0.001855 0.750376 O\n",
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"elements": [
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"volume": 1175.856298785864,
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"formula_full": "Li10 V6 P16 O58",
"formula_reduced": "Li5V3P8O29",
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{
"id": "mp-1223747",
"created_at": "2022-09-04T14:45:07.346759Z",
"structure_string": "K4 Mn2 H8 I8 O28\n1.0\n4.184895 4.020905 5.646149\n-8.417924 0.000151 11.355579\n4.184889 -4.020745 5.646033\nK Mn H I O\n4 2 8 8 28\ndirect\n0.848861 0.499968 0.151199 K\n0.348762 0.000024 0.651154 K\n0.869158 0.999980 0.130831 K\n0.369173 0.500004 0.630804 K\n0.664455 0.750006 0.835530 Mn\n0.164168 0.250082 0.336042 Mn\n0.770847 0.264090 0.605056 H\n0.271015 0.764092 0.104911 H\n0.894921 0.235896 0.729173 H\n0.395077 0.735902 0.228994 H\n0.514521 0.187509 0.017015 H\n0.014613 0.687514 0.516926 H\n0.482994 0.312472 0.985451 H\n0.983080 0.812502 0.485351 H\n0.348884 0.491838 0.143047 I\n0.848842 0.991823 0.643065 I\n0.356934 0.008165 0.151120 I\n0.856906 0.508188 0.651170 I\n0.104907 0.258771 0.928107 I\n0.604843 0.758771 0.428124 I\n0.571932 0.241212 0.395085 I\n0.071878 0.741227 0.895143 I\n0.432425 0.249996 0.067574 O\n0.932544 0.750002 0.567440 O\n0.901433 0.249987 0.598573 O\n0.401609 0.750000 0.098396 O\n0.985360 0.265980 0.190721 O\n0.485390 0.765994 0.690723 O\n0.309311 0.234011 0.514664 O\n0.809283 0.734011 0.014605 O\n0.918382 0.208004 0.928320 O\n0.418283 0.707978 0.428446 O\n0.571697 0.291984 0.581612 O\n0.071565 0.792007 0.081717 O\n0.493375 0.437132 0.269587 O\n0.993359 0.937155 0.769598 O\n0.230393 0.062857 0.006625 O\n0.730395 0.562841 0.506629 O\n0.153092 0.415037 0.266334 O\n0.653030 0.915038 0.766339 O\n0.233658 0.084972 0.346910 O\n0.733621 0.584981 0.846977 O\n0.054613 0.390919 0.844322 O\n0.554549 0.890926 0.344380 O\n0.655674 0.109070 0.445393 O\n0.155612 0.609068 0.945439 O\n0.495858 0.434295 0.920433 O\n0.995788 0.934258 0.420466 O\n0.579548 0.065711 0.004134 O\n0.079501 0.565752 0.504226 O\n",
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"volume": 764.3607353850304,
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"formula_full": "K4 Mn2 H8 I8 O28",
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{
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"structure_string": "Li4 Al1 Cr3 O8\n1.0\n4.397224 2.538793 -0.002140\n0.001138 3.379051 4.855677\n2.925731 -5.067624 0.000021\nLi Al Cr O\n4 1 3 8\ndirect\n0.000166 0.999717 0.999968 Li\n0.999834 0.000301 0.500263 Li\n0.498933 0.000667 0.250001 Li\n0.501028 0.999328 0.749309 Li\n0.000000 0.500019 0.500732 Al\n0.500012 0.499970 0.250739 Cr\n0.000004 0.500039 0.001929 Cr\n0.499985 0.500034 0.746348 Cr\n0.754656 0.278438 0.388406 O\n0.245366 0.721527 0.609942 O\n0.258922 0.727657 0.112633 O\n0.741124 0.272336 0.884941 O\n0.234242 0.280382 0.631957 O\n0.234844 0.278567 0.149923 O\n0.765742 0.719600 0.851565 O\n0.765140 0.721417 0.371343 O\n",
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{
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"structure_string": "Li2 V4 O6 F2\n1.0\n3.008561 5.197552 0.000000\n-3.008561 5.197552 0.000000\n0.000000 3.404813 4.967342\nLi V O F\n2 4 6 2\ndirect\n0.493684 0.493684 0.015695 Li\n0.136178 0.136178 0.603246 Li\n0.869733 0.869733 0.388274 V\n0.002812 0.478139 0.009208 V\n0.494033 0.494033 0.490222 V\n0.478139 0.002812 0.009208 V\n0.265506 0.745098 0.250389 O\n0.257301 0.257301 0.208211 O\n0.265532 0.265532 0.747958 O\n0.745098 0.265506 0.250389 O\n0.734471 0.734471 0.254791 O\n0.751455 0.751455 0.778626 O\n0.253848 0.727978 0.752905 F\n0.727978 0.253848 0.752905 F\n",
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"formula_full": "Li2 V4 O6 F2",
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{
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"structure_string": "Mn2 Co1 Tc1\n1.0\n-4.722794 4.795983 7.020720\n4.722794 -4.795983 7.020720\n4.722794 4.795983 -7.020720\nMn Co Tc\n2 1 1\ndirect\n0.000000 0.241959 0.241959 Mn\n0.000000 0.758041 0.758041 Mn\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Tc\n",
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{
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"structure_string": "Li3 Co2 Ni2 O8\n1.0\n5.769339 0.029268 -0.047424\n-0.077598 5.799337 -0.008137\n2.791296 2.885428 4.017209\nLi Co Ni O\n3 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.231390 0.776173 0.015202 O\n0.216590 0.220219 0.023725 O\n0.242537 0.774750 0.480031 O\n0.212131 0.223909 0.534909 O\n0.787869 0.776091 0.465091 O\n0.757463 0.225250 0.519969 O\n0.783410 0.779781 0.976275 O\n0.768610 0.223827 0.984798 O\n",
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{
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"structure_string": "Tb1 Co5\n1.0\n4.931248 0.000000 0.000000\n-2.465624 4.270586 0.000000\n0.000000 0.000000 3.947425\nTb Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n",
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{
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{
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"formula_full": "Be4 O8",
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{
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"structure_string": "Na4 Pr8 Cl18 O4\n1.0\n11.570299 0.000000 0.000000\n0.000000 8.307395 0.000000\n0.000000 2.729500 8.985188\nNa Pr Cl O\n4 8 18 4\ndirect\n0.984728 0.770978 0.433018 Na\n0.484728 0.229022 0.566982 Na\n0.015272 0.229022 0.566982 Na\n0.515272 0.770978 0.433018 Na\n0.750000 0.610720 0.164617 Pr\n0.046334 0.721314 0.952289 Pr\n0.453666 0.721314 0.952289 Pr\n0.546334 0.278686 0.047711 Pr\n0.250000 0.389280 0.835383 Pr\n0.953666 0.278686 0.047711 Pr\n0.750000 0.628675 0.780955 Pr\n0.250000 0.371325 0.219045 Pr\n0.080957 0.099875 0.315309 Cl\n0.906503 0.892748 0.123354 Cl\n0.750000 0.260827 0.862835 Cl\n0.997035 0.499290 0.298873 Cl\n0.093497 0.107252 0.876646 Cl\n0.919043 0.900125 0.684691 Cl\n0.497035 0.500710 0.701127 Cl\n0.750000 0.669031 0.461147 Cl\n0.406503 0.107252 0.876646 Cl\n0.250000 0.759200 0.753191 Cl\n0.002965 0.500710 0.701127 Cl\n0.250000 0.739173 0.137165 Cl\n0.580957 0.900125 0.684691 Cl\n0.750000 0.240800 0.246809 Cl\n0.250000 0.330969 0.538853 Cl\n0.502965 0.499290 0.298873 Cl\n0.593497 0.892748 0.123354 Cl\n0.419043 0.099875 0.315309 Cl\n0.619480 0.552058 0.986355 O\n0.380520 0.447942 0.013645 O\n0.880520 0.552058 0.986355 O\n0.119480 0.447942 0.013645 O\n",
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"formula_full": "Na4 Pr8 Cl18 O4",
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}